2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C23H20BrN5O2S MolecularWeight: 510.4062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C23H20BrN5O2S/c1-15-5-10-20(31-2)19(12-15)26-21(30)14-32-23-28-27-22(16-4-3-11-25-13-16)29(23)18-8-6-17(24)7-9-18/h3-13H,14H2,1-2H3,(H,26,30)